ethyl 4-{4-[2-(4-chloroanilino)-2-oxoethyl]-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{4-[2-(4-chloroanilino)-2-oxoethyl]-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
ethyl 4-{4-[2-(4-chloroanilino)-2-oxoethyl]-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate
Compound characteristics
| Compound ID: | C148-0087 |
| Compound Name: | ethyl 4-{4-[2-(4-chloroanilino)-2-oxoethyl]-3-[2-(4-methylpiperidin-1-yl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-1-yl}benzoate |
| Molecular Weight: | 557.11 |
| Molecular Formula: | C28 H33 Cl N4 O4 S |
| Smiles: | CCOC(c1ccc(cc1)N1C(C(CC(Nc2ccc(cc2)[Cl])=O)N(CCN2CCC(C)CC2)C1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4899 |
| logD: | 1.9296 |
| logSw: | -4.4633 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.112 |
| InChI Key: | YESVGKIRKMGWFE-DEOSSOPVSA-N |